General Information of the Compound
| Compound ID |
CP0038751
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| Compound Name |
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(3'-(trifluoromethyl)biphenyl-4-yl)methanone
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| Structure |
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| Formula |
C28H24F3N3O2
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| Molecular Weight |
491.513
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H24F3N3O2/c1-18-17-33(13-14-34(18)27(36)23-10-7-20-11-12-32-25(20)16-23)26(35)21-8-5-19(6-9-21)22-3-2-4-24(15-22)28(29,30)31/h2-12,15-16,18,32H,13-14,17H2,1H3/t18-/m0/s1
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| InChIKey |
MYYHPWVXRPLYMD-SFHVURJKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound